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86427-33-0 | 3-Chloro-1-((2,4-dimethylphenyl)methyl)-4-(1H-indol-3-yl)-2-azetidinone
CAS No: 86427-33-0 Catalog No: AG004XAS MDL No:
Product Description
Catalog Number:
AG004XAS
Chemical Name:
3-Chloro-1-((2,4-dimethylphenyl)methyl)-4-(1H-indol-3-yl)-2-azetidinone
CAS Number:
86427-33-0
Molecular Formula:
C20H19ClN2O
Molecular Weight:
338.8307
IUPAC Name:
3-chloro-1-[(2,4-dimethylphenyl)methyl]-4-(1H-indol-3-yl)azetidin-2-one
InChI:
InChI=1S/C20H19ClN2O/c1-12-7-8-14(13(2)9-12)11-23-19(18(21)20(23)24)16-10-22-17-6-4-3-5-15(16)17/h3-10,18-19,22H,11H2,1-2H3
InChI Key:
LEKVMFOKVJJYHK-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C)CN1C(=O)C(C1c1c[nH]c2c1cccc2)Cl
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.119g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.835g/mol
Monoisotopic Mass:
338.119g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
36.1A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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